2-amino-N-[(2,4-difluorophenyl)methyl]-5-hydroxy-N-methylbenzamide

C15H14F2N2O2 — CID 107074426

IUPAC2-amino-N-[(2,4-difluorophenyl)methyl]-5-hydroxy-N-methylbenzamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)c1cc(O)ccc1N
InChIInChI=1S/C15H14F2N2O2/c1-19(8-9-2-3-10(16)6-13(9)17)15(21)12-7-11(20)4-5-14(12)18/h2-7,20H,8,18H2,1H3
InChIKeyPDGXRPHNWCFZLE-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.52
Rot. Bonds3

About 2-amino-N-[(2,4-difluorophenyl)methyl]-5-hydroxy-N-methylbenzamide

2-amino-N-[(2,4-difluorophenyl)methyl]-5-hydroxy-N-methylbenzamide (PubChem CID 107074426) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-amino-N-[(2,4-difluorophenyl)methyl]-5-hydroxy-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[(2,4-difluorophenyl)methyl]-5-hydroxy-N-methylbenzamide
PubChem CID107074426
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name2-amino-N-[(2,4-difluorophenyl)methyl]-5-hydroxy-N-methylbenzamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)c1cc(O)ccc1N
InChIInChI=1S/C15H14F2N2O2/c1-19(8-9-2-3-10(16)6-13(9)17)15(21)12-7-11(20)4-5-14(12)18/h2-7,20H,8,18H2,1H3
InChIKeyPDGXRPHNWCFZLE-UHFFFAOYSA-N
XLogP2.52
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 2-amino-N-[(2,4-difluorophenyl)methyl]-5-hydroxy-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 62072492
N-[(2,4-difluorophenyl)methyl]-2,3-difluoro-N-methylbenzamide
CID 62649068
2-amino-5-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 107074383
4-amino-N-[(2,4-difluorophenyl)methyl]-N-methyl-3-nitrobenzamide
CID 38220259
N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-N-methylbenzamide
CID 134053299
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392
5-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 60725330
ethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60725198
2-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 107904260
2-amino-N-(3-fluorophenyl)-5-hydroxy-N-methylbenzamide
CID 107075081
N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 60725238
2-amino-5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 107075641

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2,4-difluorophenyl)methyl]-5-hydroxy-N-methylbenzamide?
The IUPAC name of 2-amino-N-[(2,4-difluorophenyl)methyl]-5-hydroxy-N-methylbenzamide (CID 107074426) is 2-amino-N-[(2,4-difluorophenyl)methyl]-5-hydroxy-N-methylbenzamide.
What is the SMILES notation for 2-amino-N-[(2,4-difluorophenyl)methyl]-5-hydroxy-N-methylbenzamide?
The canonical SMILES for 2-amino-N-[(2,4-difluorophenyl)methyl]-5-hydroxy-N-methylbenzamide is CN(Cc1ccc(F)cc1F)C(=O)c1cc(O)ccc1N.
What is the InChIKey of 2-amino-N-[(2,4-difluorophenyl)methyl]-5-hydroxy-N-methylbenzamide?
The InChIKey is PDGXRPHNWCFZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c1-19(8-9-2-3-10(16)6-13(9)17)15(21)12-7-11(20)4-5-14(12)18/h2-7,20H,8,18H2,1H3.
What are the key properties of 2-amino-N-[(2,4-difluorophenyl)methyl]-5-hydroxy-N-methylbenzamide?
2-amino-N-[(2,4-difluorophenyl)methyl]-5-hydroxy-N-methylbenzamide has a molecular weight of 292.29 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2,4-difluorophenyl)methyl]-5-hydroxy-N-methylbenzamide is sourced from PubChem (CID 107074426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).